CID 16260

3,5-diphenyl-4h-1,2,4-triazole

Structural Information

Molecular Formula
C14H11N3
SMILES
C1=CC=C(C=C1)C2=NC(=NN2)C3=CC=CC=C3
InChI
InChI=1S/C14H11N3/c1-3-7-11(8-4-1)13-15-14(17-16-13)12-9-5-2-6-10-12/h1-10H,(H,15,16,17)
InChIKey
KPKQWXGFEKRQQA-UHFFFAOYSA-N
Compound name
3,5-diphenyl-1H-1,2,4-triazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

904
Patents

221.09529 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.10257 149.8
[M+Na]+ 244.08451 165.8
[M+NH4]+ 239.12911 158.4
[M+K]+ 260.05845 159.2
[M-H]- 220.08801 154.7
[M+Na-2H]- 242.06996 161.6
[M]+ 221.09474 153.5
[M]- 221.09584 153.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe